2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol

C12H18ClNO2 — CID 116857246

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol
SMILESCOc1cc(C)c(C(CO)N(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-8-5-12(16-4)10(13)6-9(8)11(7-15)14(2)3/h5-6,11,15H,7H2,1-4H3
InChIKeyFFXMPOQFMNDBFJ-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.25
Rot. Bonds4

About 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol

2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol (PubChem CID 116857246) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol
PubChem CID116857246
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol
SMILESCOc1cc(C)c(C(CO)N(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-8-5-12(16-4)10(13)6-9(8)11(7-15)14(2)3/h5-6,11,15H,7H2,1-4H3
InChIKeyFFXMPOQFMNDBFJ-UHFFFAOYSA-N
XLogP2.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
CID 116863671
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
methyl 2-(5-chloro-4-methoxy-2-methylphenyl)butanoate
CID 116964394
1-[(5-chloro-4-methoxy-2-methylphenyl)-(dimethylamino)methyl]cyclopropan-1-amine
CID 116914136
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 116836078
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol (CID 116857246) is 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol is COc1cc(C)c(C(CO)N(C)C)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol?
The InChIKey is FFXMPOQFMNDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-8-5-12(16-4)10(13)6-9(8)11(7-15)14(2)3/h5-6,11,15H,7H2,1-4H3.
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol?
2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol has a molecular weight of 243.73 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol is sourced from PubChem (CID 116857246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).